2-cyclohexyl-2-[[(3S,4S)-3-phenyl-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]cyclopentyl]amino]ethanoic acid

Systemtic Name: 2-cyclohexyl-2-[[(3S,4S)-3-phenyl-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]cyclopentyl]amino]ethanoic acid Openeye Name: 2-cyclohexyl-2-[[(3S,4S)-3-phenyl-4-[[4-(4-phenyl-1H-pyrazol-5-yl)-1-piperidyl]methyl]cyclopentyl]amino]acetic acid CAS Name: 2-cyclohexyl-2-[[(3S,4S)-3-phenyl-4-[[4-(4-phenyl-1H-pyrazol-5-yl)-1-piperidinyl]methyl]cyclopentyl]amino]acetic acid IUPAC Name: 2-cyclohexyl-2-[[(3S,4S)-3-phenyl-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid Traditional Name: 2-cyclohexyl-2-[[(3S,4S)-3-phenyl-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidino]methyl]cyclopentyl]amino]acetic acid Formula: C34H44N4O2 MolecularWeight: 540.73876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)O)NC2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)C5=C(C=NN5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)NC2C[C@@H]([C@H](C2)C3=CC=CC=C3)CN4CCC(CC4)C5=C(C=NN5)C6=CC=CC=C6

InChI

InChI=1S/C34H44N4O2/c39-34(40)33(26-14-8-3-9-15-26)36-29-20-28(30(21-29)24-10-4-1-5-11-24)23-38-18-16-27(17-19-38)32-31(22-35-37-32)25-12-6-2-7-13-25/h1-2,4-7,10-13,22,26-30,33,36H,3,8-9,14-21,23H2,(H,35,37)(H,39,40)/t28-,29?,30-,33?/m1/s1